13XK
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z111507846
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-11-15 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92202 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.522, 84.067, 59.112 |
| Unit cell angles | 90.00, 107.91, 90.00 |
Refinement procedure
| Resolution | 56.250 - 1.770 |
| R-factor | 0.2065 |
| Rwork | 0.204 |
| R-free | 0.25180 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.498 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 84.050 | 84.050 | 1.810 |
| High resolution limit [Å] | 1.770 | 9.030 | 1.770 |
| Rmerge | 0.174 | 0.057 | 3.843 |
| Rmeas | 0.188 | 0.063 | 4.289 |
| Rpim | 0.072 | 0.027 | 1.875 |
| Total number of observations | 331835 | 2458 | 14043 |
| Number of reflections | 50265 | 409 | 2804 |
| <I/σ(I)> | 11.1 | 68.9 | 0.5 |
| Completeness [%] | 99.9 | 99.9 | 97.7 |
| Redundancy | 6.6 | 6 | 5 |
| CC(1/2) | 0.997 | 0.994 | 0.361 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.1 M TRIS-HCl (pH 8.5), 16% PEG 3350, 16% Isopropanol |
